SCHEMBL29883237

SCHEMBL29883237

O=[N+]([O-])c1cnc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
PIK3CD O00329 1/20 0.43
POLB P06746 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
IDO1 P14902 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
RORC P51449 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE7A Q13946 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CXCR5 P32302 1/20 0.38
APLNR P35414 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL909437 1.00 ALDH1A1 (0.60) ALDH1A1PIK3CDPOLBTDP1IDO1
SCHEMBL18863410 0.83 PIK3CD (0.43) ALDH1A1PIK3CDMAPTMEN1KMT2A
SCHEMBL26878892 0.81 ALDH1A1 (0.62) ALDH1A1POLBIDO1MAPTNPSR1
SCHEMBL31053163 0.79 ALDH1A1 (0.60) ALDH1A1POLBTDP1IDO1RORC
SCHEMBL909398 0.79 ALDH1A1 (0.60) ALDH1A1POLBIDO1MAPTNPSR1
SCHEMBL25299377 0.79 ALDH1A1 (0.60) ALDH1A1POLBIDO1MAPTNPSR1
SCHEMBL3650139 0.79 ALDH1A1 (0.60) ALDH1A1POLBIDO1CYP3A4MAPT
SCHEMBL30517139 0.79 ALDH1A1 (0.60) ALDH1A1POLBIDO1MAPTNPSR1
SCHEMBL20569282 0.79 ALDH1A1 (0.65) ALDH1A1POLBIDO1TSHRMAPT
SCHEMBL1278657 0.79 ALDH1A1 (0.60) ALDH1A1POLBTDP1IDO1RORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137605-A1 COMPOUNDS FOR TARGETED DEGRADATION OF PROTO-ONCOGENE TYROSINE PROTEIN KINASE RECEPTOR C4 THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
CN-119923398-A Cyclic compounds and methods of use thereof 薛定谔公司 2025-05-02 CN disclosed
CN-114945571-B Cyclic compounds and methods of use thereof 薛定谔公司 2025-02-25 CN disclosed
US-20250059196-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-02-20 US disclosed
EP-4458819-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-11-06 EP disclosed
CN-118451068-A Tri-fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed
CN-118420620-A Heterocyclic compounds 武田药品工业株式会社 2024-08-02 CN disclosed
CN-113038948-B Heterocyclic compounds 武田药品工业株式会社 2024-07-12 CN disclosed
CN-117120442-A Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders 薛定谔公司 2023-11-24 CN disclosed
CN-117120427-A MALT1 inhibitor and preparation method and application thereof 上海拓界生物医药科技有限公司 2023-11-24 CN disclosed
CN-116507607-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2023-07-28 CN disclosed
WO-2023125877-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 EP disclosed
EP-4163280-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2023-04-12 EP disclosed
CN-112601747-B Pyrazole derivatives as MALT1 inhibitors 詹森药业有限公司 2023-02-21 CN disclosed
CN-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250059196-A1 TRICYCLIC DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, CYP51A1, WEE2 ALDH1A1 792/4885PIK3CD 1455/4885POLB 2864/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.